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Silane


Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafgas34.31kJ/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar204.65J/mol*KReviewChase, 1998Data last reviewed in June, 1976

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1300.1300. - 6000.
A 6.06018999.84949
B 139.96324.251530
C -77.88474-0.809269
D 16.240950.053437
E 0.135509-20.39005
F 27.39081-40.54016
G 174.3351266.8015
H 34.3090534.30905
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1976 Data last reviewed in June, 1976

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
93.8 - 161.74.22228703.9875.352Stull, 1947Coefficents calculated by NIST from author's data.

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

H3Si- + Hydrogen cation = Silane

By formula: H3Si- + H+ = H4Si

Quantity Value Units Method Reference Comment
Deltar1564. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase
Deltar1560. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale
Deltar1559.8 ± 3.5kJ/molD-EANimlos and Ellison, 1986gas phase
Deltar1556. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1564.4kJ/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7
Quantity Value Units Method Reference Comment
Deltar1530. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase
Deltar1526. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale
Deltar1525.4 ± 3.9kJ/molH-TSNimlos and Ellison, 1986gas phase
Deltar1522. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1533.0kJ/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7

Hydrogen anion + Silane = (Hydrogen anion bullet Silane)

By formula: H- + H4Si = (H- bullet H4Si)

Quantity Value Units Method Reference Comment
Deltar79. ± 17.kJ/molIMRBHajdasz, Ho, et al., 1994gas phase
Deltar94. ± 19.kJ/molIMREHajdasz and Squires, 1986gas phase; QCISD Calculation: H-A = 20.2, 99MOC
Quantity Value Units Method Reference Comment
Deltar49. ± 17.kJ/molIMRBHajdasz, Ho, et al., 1994gas phase

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H4Si+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.00 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)639.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity613.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.2 ± 0.1PIShin, Corderman, et al., 1990LL
11.00 ± 0.02PIBerkowitz, Greene, et al., 1987LBLHLM
11.7PEPotzinger, Ritter, et al., 1975LLK
11.60PEPotts and Price, 1972LLK
11.66PEPullen, Carlson, et al., 1970RDSH
12.3PERoberge, Sandorfy, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HSi+13.8 ± 0.4H2+HPIBorlin, Heinis, et al., 1986LBLHLM
HSi+15. ± 1.H2+HEIChatham, Hils, et al., 1984LBLHLM
HSi+14.7?EIMorrison and Traeger, 1973LLK
SiH+15.3 ± 0.3?EIPotzinger and Lampe, 1969RDSH
SiH+16.1 ± 0.2?EISaalfeld and Svec, 1963RDSH
H2Si+11.52 ± 0.03H2PIShin, Corderman, et al., 1990LL
H2Si+11.54 ± 0.01H2PIBerkowitz, Greene, et al., 1987LBLHLM
H2Si+11.05 ± 0.05H2PIBorlin, Heinis, et al., 1986LBLHLM
H2Si+11.67 ± 0.04H2PIDing, Cassidy, et al., 1985LBLHLM
H2Si+11.6 ± 0.4H2EIChatham, Hils, et al., 1984LBLHLM
H2Si+11.9 ± 0.1H2EIPotzinger, Ritter, et al., 1975LLK
H2Si+11.8H2EIMorrison and Traeger, 1973LLK
H2Si+16.22H?EIMorrison and Traeger, 1973LLK
SiH2+11.90 ± 0.02H2EIPotzinger and Lampe, 1969RDSH
SiH2+11.91 ± 0.02H2EISteele, Nichols, et al., 1962RDSH
H3Si+12.10HDERShin, Corderman, et al., 1990LL
H3Si+<=12.086 ± 0.020HPIBerkowitz, Greene, et al., 1987LBLHLM
H3Si+12.10 ± 0.05HPIBorlin, Heinis, et al., 1986LBLHLM
H3Si+12.23 ± 0.02HPIDing, Cassidy, et al., 1985LBLHLM
H3Si+12.2 ± 0.4HEIChatham, Hils, et al., 1984LBLHLM
H3Si+12.3 ± 0.1HEIPotzinger, Ritter, et al., 1975LLK
H3Si+12.2HEIMorrison and Traeger, 1973LLK
SiH3+12.30 ± 0.03HEIPotzinger and Lampe, 1969RDSH
SiH3+11.81 ± 0.09HEISaalfeld and Svec, 1966RDSH
SiH3+11.8 ± 0.2HEISaalfeld and Svec, 1963RDSH
SiH3+12.40 ± 0.02HEISteele, Nichols, et al., 1962RDSH
Si+12.65 ± 0.10H2+2HPIBorlin, Heinis, et al., 1986LBLHLM
Si+14. ± 2.?EIChatham, Hils, et al., 1984LBLHLM
Si+13.3?EIMorrison and Traeger, 1973LLK
Si+13.56 ± 0.08?EIPotzinger and Lampe, 1969RDSH
Si+11.7 ± 0.2?EISaalfeld and Svec, 1963RDSH

De-protonation reactions

H3Si- + Hydrogen cation = Silane

By formula: H3Si- + H+ = H4Si

Quantity Value Units Method Reference Comment
Deltar1564. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar1560. ± 8.8kJ/molG+TSWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale; B
Deltar1559.8 ± 3.5kJ/molD-EANimlos and Ellison, 1986gas phase; B
Deltar1556. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1564.4kJ/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7; B
Quantity Value Units Method Reference Comment
Deltar1530. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar1526. ± 8.4kJ/molIMREWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale; B
Deltar1525.4 ± 3.9kJ/molH-TSNimlos and Ellison, 1986gas phase; B
Deltar1522. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1533.0kJ/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7; B

Ion clustering data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Hydrogen anion + Silane = (Hydrogen anion bullet Silane)

By formula: H- + H4Si = (H- bullet H4Si)

Quantity Value Units Method Reference Comment
Deltar79. ± 17.kJ/molIMRBHajdasz, Ho, et al., 1994gas phase
Deltar94. ± 19.kJ/molIMREHajdasz and Squires, 1986gas phase; QCISD Calculation: H-A = 20.2, 99MOC
Quantity Value Units Method Reference Comment
Deltar49. ± 17.kJ/molIMRBHajdasz, Ho, et al., 1994gas phase

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 39

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number sigma = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 2187  B  ia 2187.0 S gas
e 2 Deg deform 975  C 974.6 ia gas 978 W gas observed through Coriolis interaction with «nu»4
f2 3 Deg str 2191  A 2190.6 gas
f2 4 Deg deform 914  B 914.2 gas

Source: Shimanouchi, 1972

Notes

SStrong
WWeak
iaInactive
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SiH3- and SiD3-, J. Am. Chem. Soc., 1986, 108, 6522. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Hajdasz, Ho, et al., 1994
Hajdasz, D.J.; Ho, Y.; Squires, R.R., Gas-Phase Chemistry of Pentacoordinate Silicon Hydrides, J. Am. Chem. Soc., 1994, 116, 23, 10751, https://doi.org/10.1021/ja00102a045 . [all data]

Hajdasz and Squires, 1986
Hajdasz, D.J.; Squires, R.R., Hypervalent silicon hydrides: SiH5-, J. Am. Chem. Soc., 1986, 108, 3139. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Shin, Corderman, et al., 1990
Shin, S.K.; Corderman, R.R.; Beauchamp, J.L., Photoionization mass spectrometric studies of the methylsilanes Si(CH3)nH4-n (n = 0-3), Int. J. Mass Spectrom. Ion Processes, 1990, 101, 257. [all data]

Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B., Photoionization mass spectrometric studies of SiHn (n=1-4), J. Chem. Phys., 1987, 86, 1235. [all data]

Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [all data]

Potts and Price, 1972
Potts, A.W.; Price, W.C., The photoelectron spectra of methane, silane germane and stannane, Proc. R. Soc. London A:, 1972, 165. [all data]

Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E., Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane, J. Chem. Phys., 1970, 53, 768. [all data]

Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P., The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives, J. Chem. Phys., 1978, 69, 5105. [all data]

Borlin, Heinis, et al., 1986
Borlin, K.; Heinis, T.; Jungen, M., Photoionization mass spectrometry of silane, Chem. Phys., 1986, 103, 93. [all data]

Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A., Total and partial electron collisional ionization cross sections for CH4, C2H6, SiH4, and Si2H6, J. Chem. Phys., 1984, 81, 1770. [all data]

Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C., Ionization and dissociation by electron impact. III. CH4 and SiH4, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 289. [all data]

Potzinger and Lampe, 1969
Potzinger, P.; Lampe, F.W., An electron impact study of ionization and dissociation of monosilane and disilane, J. Phys. Chem., 1969, 73, 3912. [all data]

Saalfeld and Svec, 1963
Saalfeld, F.E.; Svec, H.J., The mass spectra of volatile hydrides. I. The monoelemental hydrides of the group IVB and VB elements, Inorg. Chem., 1963, 2, 46. [all data]

Ding, Cassidy, et al., 1985
Ding, A.; Cassidy, R.; Cordis, L.; Lampe, F., The photoionization spectra of effusing and supersonic molecular beams of Mmnosilane, J. Chem. Phys., 1985, 83, 3426. [all data]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [all data]

Saalfeld and Svec, 1966
Saalfeld, F.E.; Svec, H.J., Mass spectra of volatile hydrides. IV. Silylgermane, J. Phys. Chem., 1966, 70, 1753. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References